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Calculated Ionization Energy for for HNO (Nitrosyl hydride)

2009091408

ROMP2/cc-pVTZ

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -129.9161409     -130.2730150     0.3568741     0.0000000 130.2730150
cm-1   3553.5     3049.8     503.7      
eV -3535.198 0.441 -3534.757 -3544.909 0.378 -3544.531 9.711 0.062 9.773 0.000 3544.909
A scaling factor of 1 was used for the vibrational zero-point energy (VZPE).